C,1,57.81,s,
O,2,,,
C,3,77.45,s,
C,4,29.4,s,
C,5,52.53,s,
N,6,,,
C,7,50.6,s,
C,8,33.63,s,
C,9,26.7,s,
C,10,33.75,s,
C,11,48.3,s,
N,12,,,
C,13,172.23,s,
O,14,,,
C,15,74.63,s,
O,16,,,
C,17,68.77,s,
O,18,,,
C,19,28.5,s,
C,20,58.3,s,
C,21,61.1,s,
C,22,36.63,s,
H,23,3.32,s,
H,24,3.32,s,
H,25,3.32,s,
H,26,4.83,m,
H,27,2.08,m,
H,28,2.08,m,
H,29,3.34,ddd,"12.4,8.3,1.2"
H,30,3.34,ddd,"12.4,10.2,8.3"
H,31,3.31,dd,"12.4,4.4"
H,32,3.31,dd,"12.4,9.9"
H,33,2.83,m,
H,34,1.83,ddd,"12.4,4.7,3.5"
H,35,1.83,ddd,"12.4,2.7,1.7"
H,36,2.83,m,
H,37,3.31,dd,"12.4,2.2"
H,38,3.31,dd,"12.4,6.1"
H,39,3.42,d,2.3
H,40,,,
H,41,3.89,ddd,"5.5,2.3,0.8"
H,42,,,
H,43,2.2,ddd,"12.4,7.8,5.5"
H,44,2.2,ddd,"12.4,11.6,0.8"
H,45,3.6,ddd,"11.6,7.8,2.9"
H,46,3.6,ddd,"5.8,2.4,2.3"
H,47,2.17,ddd,"12.4,9.6,5.8"
H,48,2.17,ddd,"12.4,7.6,2.3"
